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Molecule Identifiers
Molecular Properties

ID: 124153

SMILES:
C(CCCCC)c1c(O)c2c3c(c1O)OC(C)(C)C1C3CC(CO)(O1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -14.558

InChIKey:
MQXVHVVSZPSLIH-UHFFFAOYSA-N

ID: 124154

SMILES:
O=C(CCc1cc(O)c(C2C=C(C)CCC2C(O)(C)C)c(O)c1)CC(CCC=C(C)C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.003

InChIKey:
PLMZOMVSTIOTQX-UHFFFAOYSA-N

ID: 124155

SMILES:
O=C(OC)CCc1cc2c(c(O)c1)C1C(C(CCC=C(C)C)(C)O1)CC(O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.783

InChIKey:
IYTLSOPJFWUYKO-UHFFFAOYSA-N

ID: 124156

SMILES:
C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 124157

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)CC(C(=C)C)CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.883

InChIKey:
SBBZNTCABYMCTI-UHFFFAOYSA-N

ID: 124158

SMILES:
c1cc(C2C(C(C)=C)C(c3c(OC)ccc(CCNC)c3)CC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 391.555

CB1 binding score: -14.509

InChIKey:
CVBCLLVNVOPBGS-UHFFFAOYSA-N

ID: 124159

SMILES:
O=C(c1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.082

InChIKey:
FXFCWDLFTYWYJT-UHFFFAOYSA-N

ID: 124160

SMILES:
CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 124161

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)CC(C)(CCC=C(C)CCC=C(C)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.306

InChIKey:
BWLUUIFIGKLMDU-UHFFFAOYSA-N

ID: 124162

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 124163

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 124164

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(C(O)=CC(C)C(OC)=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -13.343

InChIKey:
BJVMWEBBTXHAPG-UHFFFAOYSA-N

ID: 124165

SMILES:
c1c(CCC(C)=O)cc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.005

InChIKey:
BJIRSPRNUPZGLR-UHFFFAOYSA-N

ID: 124166

SMILES:
C=C1C2C(CCC(C)=CCC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.356

InChIKey:
ZJPTYFKSUONYDF-UHFFFAOYSA-N

ID: 124167

SMILES:
CCCCCc1cc(O)c(C2C(C(CO)=C)CCC(C)(O)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.749

InChIKey:
LKXPBEVXLCREKD-UHFFFAOYSA-N

ID: 124168

SMILES:
c1(O)cc2c(cc1C)OC(C)(C)C1CCC(C)CC1C=C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.309

InChIKey:
XIRUJFJLAMILIN-UHFFFAOYSA-N

ID: 124169

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 124170

SMILES:
c1(O)cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.407

InChIKey:
QMFTYLCWBOBNGL-UHFFFAOYSA-N

ID: 124171

SMILES:
C(=CCC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(C)=CCOC(C)=O)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -16.062

InChIKey:
FDAPGMJFBZAJMB-UHFFFAOYSA-N

ID: 124172

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(=C(C)CC2)CC(O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.567

InChIKey:
IDGVJNLQBVITPK-UHFFFAOYSA-N

ID: 124173

SMILES:
c12c(cc(C)cc1O)C1CC(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -12.258

InChIKey:
AFKXGJDRMZUYFE-UHFFFAOYSA-N

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124153–124173 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties